N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine

C16H20N2S — CID 61450995

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESNCc1cccc(CN(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C16H20N2S/c17-10-13-3-1-4-14(9-13)11-18(15-6-7-15)12-16-5-2-8-19-16/h1-5,8-9,15H,6-7,10-12,17H2
InChIKeySRLKFBHJCTULQM-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.37
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine

N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine (PubChem CID 61450995) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
PubChem CID61450995
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESNCc1cccc(CN(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C16H20N2S/c17-10-13-3-1-4-14(9-13)11-18(15-6-7-15)12-16-5-2-8-19-16/h1-5,8-9,15H,6-7,10-12,17H2
InChIKeySRLKFBHJCTULQM-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline
CID 63188821
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CID 61453411
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 55069477
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 65482513
5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide
CID 63577161
1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 54948428
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine (CID 61450995) is N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine is NCc1cccc(CN(Cc2cccs2)C2CC2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The InChIKey is SRLKFBHJCTULQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c17-10-13-3-1-4-14(9-13)11-18(15-6-7-15)12-16-5-2-8-19-16/h1-5,8-9,15H,6-7,10-12,17H2.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine has a molecular weight of 272.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 61450995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).